2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide

C25H40N2O2 — CID 90754390

IUPAC2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
SMILESCCCCCCCCCCCCCC(O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(28)25(29)26-19-18-21-20-27-23-16-14-13-15-22(21)23/h13-16,20,24,27-28H,2-12,17-19H2,1H3,(H,26,29)
InChIKeyQAUFVTLTSUYRHF-UHFFFAOYSA-N
MW400.61 g/mol
LogP5.89
Rot. Bonds16

About 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide

2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide (PubChem CID 90754390) has the molecular formula C25H40N2O2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
PubChem CID90754390
Molecular FormulaC25H40N2O2
Molecular Weight400.61 g/mol
Exact Mass400.31
IUPAC Name2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
SMILESCCCCCCCCCCCCCC(O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(28)25(29)26-19-18-21-20-27-23-16-14-13-15-22(21)23/h13-16,20,24,27-28H,2-12,17-19H2,1H3,(H,26,29)
InChIKeyQAUFVTLTSUYRHF-UHFFFAOYSA-N
XLogP5.89
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
CID 178136031
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
3-heptyl-1H-indole
CID 15360907
benzyl N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxohexan-2-yl]carbamate
CID 178135953
[1-(dodecylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
CID 101453989

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide?
The IUPAC name of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide (CID 90754390) is 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide.
What is the SMILES notation for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide?
The canonical SMILES for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide is CCCCCCCCCCCCCC(O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide?
The InChIKey is QAUFVTLTSUYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(28)25(29)26-19-18-21-20-27-23-16-14-13-15-22(21)23/h13-16,20,24,27-28H,2-12,17-19H2,1H3,(H,26,29).
What are the key properties of 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide?
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide has a molecular weight of 400.61 g/mol, XLogP of 5.89, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide is sourced from PubChem (CID 90754390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).